SCHEMBL11037376

SCHEMBL11037376

CC1(C)CC(O)c2ccc(O)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
TLR3 O15455 1/20 0.46
MAPT P10636 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN1 P18031 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ALOX12 P18054 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7608955 0.87 MAPT (0.46) KDM4EALDH1A1CA2CA5ATLR3
SCHEMBL9748880 0.83 KDM4E (0.46) KDM4EALDH1A1CA2CA5AMAPT
SCHEMBL9516408 0.83 KDM4E (0.43) KDM4EALDH1A1CA2CA5ATLR3
SCHEMBL10585397 0.82 KDM4E (0.45) KDM4EALDH1A1CA2CA5AMAPT
SCHEMBL3318162 0.82 CFTR (0.46) TLR3
SCHEMBL3318159 0.82 CFTR (0.46) TLR3
SCHEMBL31085042 0.82 TRPV1 (0.43) ALDH1A1TLR3HIF1AMEN1KMT2A
Hydrochloric Acid SCHEMBL17708952 0.81 KDM4E (0.44) KDM4EALDH1A1CA2CA5AMAPT
SCHEMBL9749322 0.80 KDM4E (0.43) KDM4EALDH1A1TLR3MAPTTMEM97
SCHEMBL31260267 0.80 MAPT (0.47) KDM4EALDH1A1TLR3MAPTHTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129636-A1 Process for the preparation of chromen derivatives ALKALOIDA VEGYéSZETI GYáR (HU) 1985-01-02 EP disclosed